1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate

C187H196FN23O15+10 — CID 160813487

About 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate

1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate (PubChem CID 160813487) has the molecular formula C187H196FN23O15+10 and a molecular weight of 3024.77 g/mol. Its IUPAC name is 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate.

Molecular Properties

• Compound Name: 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate
• PubChem CID: 160813487
• Molecular Formula: C187H196FN23O15+10
• Molecular Weight: 3024.77 g/mol
• Exact Mass: 3022.52
• IUPAC Name: 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate
• SMILES: CCN1CCCc2c1ccc(-c1c(OC)ncc[n+]1C)c2C.COC(=O)c1ncc[n+](C)c1-c1ccc(C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(OC)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccccc1C.COc1ncc[n+](C)c1-c1cc2c(cc1C)-c1ccccc1C2(C)C.COc1ncc[n+](C)c1-c1cc2c(cc1C)-c1ccccc1C21c2ccccc2-c2ccccc21.COc1ncc[n+](C)c1-c1cc2ccccc2cc1C.COc1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.COc1ncc[n+](C)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1C
• InChI: InChI=1S/C32H25N2O.C25H24N3O.C22H23N2O.C18H24N3O.C17H17N2O.C15H20N3O.C15H17N2O3.C15H17N2O2.C14H14FN2O2.C14H15N2O2/c1-20-18-25-23-12-6-9-15-28(23)32(26-13-7-4-10-21(26)22-11-5-8-14-27(22)32)29(25)19-24(20)30-31(35-3)33-16-17-34(30)2;1-19-18-22(14-15-23(19)24-25(29-3)26-16-17-27(24)2)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-14-12-17-15-8-6-7-9-18(15)22(2,3)19(17)13-16(14)20-21(25-5)23-10-11-24(20)4;1-5-21-11-6-7-14-13(2)15(8-9-16(14)21)17-18(22-4)19-10-12-20(17)3;1-12-10-13-6-4-5-7-14(13)11-15(12)16-17(20-3)18-8-9-19(16)2;1-11-10-12(17(2)3)6-7-13(11)14-15(19-5)16-8-9-18(14)4;1-10-9-11(19-3)5-6-12(10)14-13(15(18)20-4)16-7-8-17(14)2;1-10-5-6-12(11(2)9-10)14-13(15(18)19-4)16-7-8-17(14)3;1-9-8-10(15)4-5-11(9)13-12(14(18)19-3)16-6-7-17(13)2;1-10-6-4-5-7-11(10)13-12(14(17)18-3)15-8-9-16(13)2/h4-19H,1-3H3;4-18H,1-3H3;6-13H,1-5H3;8-10,12H,5-7,11H2,1-4H3;4-11H,1-3H3;6-10H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-8H,1-3H3;4-9H,1-3H3/q10*+1
• InChIKey: XPMKYLJXKXVTSI-UHFFFAOYSA-N
• XLogP: 30.58
• TPSA: 347.23 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3024.77
LogP ≤ 5	30.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate?

The IUPAC name of 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate (CID 160813487) is 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate.

What is the SMILES notation for 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate?

The canonical SMILES for 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate is CCN1CCCc2c1ccc(-c1c(OC)ncc[n+]1C)c2C.COC(=O)c1ncc[n+](C)c1-c1ccc(C)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(F)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccc(OC)cc1C.COC(=O)c1ncc[n+](C)c1-c1ccccc1C.COc1ncc[n+](C)c1-c1cc2c(cc1C)-c1ccccc1C2(C)C.COc1ncc[n+](C)c1-c1cc2c(cc1C)-c1ccccc1C21c2ccccc2-c2ccccc21.COc1ncc[n+](C)c1-c1cc2ccccc2cc1C.COc1ncc[n+](C)c1-c1ccc(N(C)C)cc1C.COc1ncc[n+](C)c1-c1ccc(N(c2ccccc2)c2ccccc2)cc1C.

What is the InChIKey of 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate?

The InChIKey is XPMKYLJXKXVTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N2O.C25H24N3O.C22H23N2O.C18H24N3O.C17H17N2O.C15H20N3O.C15H17N2O3.C15H17N2O2.C14H14FN2O2.C14H15N2O2/c1-20-18-25-23-12-6-9-15-28(23)32(26-13-7-4-10-21(26)22-11-5-8-14-27(22)32)29(25)19-24(20)30-31(35-3)33-16-17-34(30)2;1-19-18-22(14-15-23(19)24-25(29-3)26-16-17-27(24)2)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-14-12-17-15-8-6-7-9-18(15)22(2,3)19(17)13-16(14)20-21(25-5)23-10-11-24(20)4;1-5-21-11-6-7-14-13(2)15(8-9-16(14)21)17-18(22-4)19-10-12-20(17)3;1-12-10-13-6-4-5-7-14(13)11-15(12)16-17(20-3)18-8-9-19(16)2;1-11-10-12(17(2)3)6-7-13(11)14-15(19-5)16-8-9-18(14)4;1-10-9-11(19-3)5-6-12(10)14-13(15(18)20-4)16-7-8-17(14)2;1-10-5-6-12(11(2)9-10)14-13(15(18)19-4)16-7-8-17(14)3;1-9-8-10(15)4-5-11(9)13-12(14(18)19-3)16-6-7-17(13)2;1-10-6-4-5-7-11(10)13-12(14(17)18-3)15-8-9-16(13)2/h4-19H,1-3H3;4-18H,1-3H3;6-13H,1-5H3;8-10,12H,5-7,11H2,1-4H3;4-11H,1-3H3;6-10H,1-5H3;5-9H,1-4H3;5-9H,1-4H3;4-8H,1-3H3;4-9H,1-3H3/q10*+1.

What are the key properties of 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate?

1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate has a molecular weight of 3024.77 g/mol, XLogP of 30.58, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-5-methyl-3,4-dihydro-2H-quinoline;3-methoxy-1-methyl-2-(3-methylnaphthalen-2-yl)pyrazin-1-ium;3-methoxy-1-methyl-2-(3'-methyl-9,9'-spirobi[fluorene]-2'-yl)pyrazin-1-ium;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-3-methyl-N,N-diphenylaniline;4-(3-methoxy-1-methylpyrazin-1-ium-2-yl)-N,N,3-trimethylaniline;3-methoxy-1-methyl-2-(3,9,9-trimethylfluoren-2-yl)pyrazin-1-ium;methyl 3-(2,4-dimethylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-fluoro-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 3-(4-methoxy-2-methylphenyl)-4-methylpyrazin-4-ium-2-carboxylate;methyl 4-methyl-3-(2-methylphenyl)pyrazin-4-ium-2-carboxylate is sourced from PubChem (CID 160813487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).